CID 2800125

2-(2,4-difluorophenoxy)-5-nitropyridine

Structural Information

Molecular Formula
C11H6F2N2O3
SMILES
C1=CC(=C(C=C1F)F)OC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H6F2N2O3/c12-7-1-3-10(9(13)5-7)18-11-4-2-8(6-14-11)15(16)17/h1-6H
InChIKey
VNVUVVNYXQZPNA-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenoxy)-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

252.03465 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04193 148.0
[M+Na]+ 275.02387 157.1
[M-H]- 251.02737 151.6
[M+NH4]+ 270.06847 162.8
[M+K]+ 290.99781 149.6
[M+H-H2O]+ 235.03191 142.7
[M+HCOO]- 297.03285 171.2
[M+CH3COO]- 311.04850 188.0
[M+Na-2H]- 273.00932 155.6
[M]+ 252.03410 145.7
[M]- 252.03520 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe